SCHEMBL7312296

SCHEMBL7312296

COC(=O)CC1CCc2ccc(OCc3ccc(C#N)cc3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
MAOB P27338 4/20 0.47
MAOA P21397 2/20 0.47
RAB9A P51151 3/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
SMPD1 P17405 1/20 0.44
KCNH2 Q12809 1/20 0.42
YAP1 P46937 1/20 0.42
FAAH O00519 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP26A1 O43174 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7300468 0.85 RAB9A (0.44) ITGB3ITGA2BMAOBMAOARAB9A
SCHEMBL7307064 0.83 ITGB3 (0.74) ITGB3ITGA2BRAB9ANPC1ALDH1A1
SCHEMBL7349921 0.82 ITGB3 (0.58) ITGB3ITGA2BMAOBMAOARAB9A
SCHEMBL7298184 0.82 ITGB3 (0.48) ITGB3ITGA2BRAB9AFAAHNPC1
SCHEMBL7298188 0.82 ITGB3 (0.48) ITGB3ITGA2BRAB9AFAAHNPC1
SCHEMBL4621845 0.81 BACE1 (0.60) ITGB3ITGA2BRAB9AFAAHNPC1
SCHEMBL7347857 0.78 ITGB3 (0.64) ITGB3ITGA2BPPARDFAAHCYP26A1
SCHEMBL7355172 0.76 ITGB3 (0.51) ITGB3ITGA2BFAAHCYP26A1
SCHEMBL7297164 0.75 CYP19A1 (0.51) ITGB3ITGA2BMAPTCYP26A1MTNR1A
SCHEMBL7303640 0.75 ITGB3 (0.70) ITGB3ITGA2BRAB9APPARDPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed